SCHEMBL31364909

SCHEMBL31364909

C[C@@H](Nc1cc(Br)cnc1[N+](=O)[O-])c1ccc(Cl)cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
MAPT P10636 2/20 0.41
HPGD P15428 2/20 0.41
TP53 P04637 2/20 0.41
ALOX15 P16050 1/20 0.41
PPARG P37231 1/20 0.41
NCOA2 Q15596 1/20 0.41
NCOA1 Q15788 1/20 0.41
NCOA3 Q9Y6Q9 1/20 0.41
S1PR4 O95977 5/20 0.36
LMNA P02545 3/20 0.36
NPC1 O15118 1/20 0.36
P2RX3 P56373 1/20 0.36
IDH1 O75874 3/20 0.35
HTT P42858 2/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
PKM P14618 1/20 0.34
USP7 Q93009 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL31364796 0.81 KMT2A (0.46) MEN1KMT2AMAPTHPGDTP53
SCHEMBL31365010 0.80 TSHR (0.40) MEN1KMT2AMAPTHPGDTP53
SCHEMBL15053383 0.80 TSHR (0.47) MEN1KMT2AMAPTHPGDTP53
SCHEMBL15053385 0.80 TSHR (0.47) MEN1KMT2AMAPTHPGDTP53
SCHEMBL31531593 0.80 TSHR (0.47) MEN1KMT2AMAPTHPGDTP53
SCHEMBL31364929 0.78 TNF (0.37) MEN1KMT2AMAPTHPGDTP53
SCHEMBL30371404 0.77 SMN1; SMN2 (0.39) MAPTLMNAHTTMAPK1
SCHEMBL25523012 0.77 SMN1; SMN2 (0.39) MAPTLMNAHTTMAPK1
SCHEMBL31365011 0.77 MEN1 (0.36) MEN1KMT2AMAPTHPGDTP53
SCHEMBL17807851 0.77 ALDH1A1 (0.54) MAPTHPGDTP53HTTMAPK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025056065-A1 CHEMOKINE RECEPTOR ANTAGONIST, PHARMACEUTICAL COMPOSITION, AND USE 上海医药集团股份有限公司 2025-03-20 WO disclosed
CN-119638669-A Chemokine receptor antagonist, pharmaceutical composition and application 上海医药集团股份有限公司 2025-03-18 CN disclosed